#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy s SER 2 N 0.00 6.76 -0.08 1.61 0.01 -1.26 -4.90 113.70 115.85 2edy s SER 2 Ca 0.00 0.94 -0.04 0.00 1.31 0.00 0.00 55.95 58.17 2edy s SER 2 Cb 0.00 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2edy s SER 2 CO 0.00 -0.47 -0.10 -1.54 0.41 0.00 0.00 173.24 171.54 2edy n SER 3 N 5.89 0.75 0.00 2.44 3.41 -1.26 -5.11 113.62 119.74 2edy n SER 3 Ca 0.04 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2edy n SER 3 Cb 0.48 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2edy n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2edy n GLY 4 N 2.54 2.06 3.19 5.00 0.00 -1.26 -5.16 105.19 111.57 2edy n GLY 4 Ca -0.16 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2edy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edy s SER 5 N 0.00 -1.14 -0.63 1.61 1.04 -1.26 -5.10 113.70 108.22 2edy s SER 5 Ca 0.00 0.79 0.05 0.00 0.48 0.00 0.00 55.95 57.26 2edy s SER 5 Cb 0.00 1.99 0.16 0.00 0.10 0.00 0.00 66.02 68.27 2edy s SER 5 CO 0.00 -0.21 0.42 -0.44 0.98 0.00 0.00 173.24 173.99 2edy s SER 6 N 2.87 4.32 0.00 7.02 0.01 -1.26 -5.05 113.70 121.60 2edy s SER 6 Ca 0.14 -3.56 0.00 0.00 1.31 0.00 0.00 55.95 53.83 2edy s SER 6 Cb -0.13 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2edy s SER 6 CO -0.19 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2edy n GLY 7 N 2.34 1.89 3.77 3.44 0.00 -1.21 0.24 105.19 115.65 2edy n GLY 7 Ca 0.18 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 2edy n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 8 N -0.54 2.29 -0.18 1.61 0.04 -1.25 -4.86 135.00 132.10 2edy s PRO 8 Ca 0.00 1.19 0.16 0.00 0.04 0.00 0.00 61.00 62.39 2edy s PRO 8 Cb 0.00 -1.90 0.41 0.00 0.04 0.00 0.00 34.50 33.05 2edy s PRO 8 CO 0.00 -1.62 1.29 0.45 0.04 0.00 0.00 177.00 177.16 2edy n SER 9 N -3.43 2.74 -3.88 6.66 2.88 -1.26 -4.01 113.62 113.31 2edy n SER 9 Ca 0.09 -3.28 -0.09 0.00 -1.33 0.00 0.00 58.87 54.26 2edy n SER 9 Cb 0.53 -0.51 -0.08 0.00 -0.75 0.00 0.00 64.21 63.40 2edy n SER 9 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2edy s GLY 10 N -2.60 0.13 0.22 0.46 0.00 -1.26 -4.89 107.32 99.38 2edy s GLY 10 Ca 0.38 -0.62 0.10 0.00 0.00 0.00 0.00 44.72 44.58 2edy s GLY 10 CO 0.03 -0.79 -0.15 -0.11 0.00 0.00 0.00 173.10 172.08 2edy s PHE 11 N -3.58 2.47 1.13 1.90 -0.71 -1.26 -4.61 117.98 113.32 2edy s PHE 11 Ca 0.03 -0.29 -0.17 0.00 -1.04 0.00 0.00 56.93 55.47 2edy s PHE 11 Cb 0.04 -1.17 0.25 0.00 -1.21 0.00 0.00 43.02 40.94 2edy s PHE 11 CO -0.09 0.57 1.10 -1.25 -1.34 0.00 0.00 175.22 174.21 2edy s PRO 12 N -3.05 -0.67 0.41 1.99 0.04 -1.26 -4.60 135.00 127.86 2edy s PRO 12 Ca 0.26 0.13 0.04 0.00 0.04 0.00 0.00 61.00 61.47 2edy s PRO 12 Cb -0.07 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2edy s PRO 12 CO 0.14 -3.39 0.14 -0.65 0.04 0.00 0.00 177.00 173.29 2edy s GLN 13 N -5.24 1.95 -1.50 4.56 -1.52 -1.10 -4.83 119.66 111.98 2edy s GLN 13 Ca 0.69 -2.20 0.00 0.00 -1.95 0.00 0.00 55.36 51.90 2edy s GLN 13 Cb -0.13 -0.56 0.00 0.00 -0.22 0.00 0.00 33.01 32.10 2edy s GLN 13 CO 0.57 -0.51 0.00 0.09 -0.25 0.00 0.00 175.29 175.19 2edy n ASN 14 N -1.38 -5.13 -4.61 5.90 5.03 -1.26 -0.09 115.26 113.71 2edy n ASN 14 Ca -0.06 -0.01 -0.43 0.00 0.87 0.00 0.00 54.58 54.95 2edy n ASN 14 Cb 0.65 -4.22 -0.02 0.00 -1.02 0.00 0.00 39.78 35.17 2edy n ASN 14 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2edy s LEU 15 N -5.04 3.73 0.00 3.41 2.96 -1.26 -3.74 118.68 118.75 2edy s LEU 15 Ca 0.00 0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 54.70 2edy s LEU 15 Cb 0.00 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.19 2edy s LEU 15 CO 0.00 -1.22 0.56 0.00 -1.32 0.00 0.00 176.35 174.37 2edy n HIS 16 N 8.02 -1.17 -4.28 5.38 1.44 -1.18 -4.93 115.22 118.50 2edy n HIS 16 Ca 0.15 -0.79 -0.34 0.00 -2.01 0.00 0.00 57.72 54.73 2edy n HIS 16 Cb 0.48 0.39 -0.12 0.00 0.12 0.00 0.00 29.99 30.86 2edy n HIS 16 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2edy s VAL 17 N -2.32 4.10 -0.55 0.61 0.11 -1.26 -0.80 120.40 120.29 2edy s VAL 17 Ca 0.12 -0.28 0.23 0.00 -2.93 0.00 0.00 61.98 59.13 2edy s VAL 17 Cb -0.02 -2.82 -0.05 0.00 -1.53 0.00 0.00 36.38 31.97 2edy s VAL 17 CO 0.04 0.48 1.12 1.07 -3.33 0.00 0.00 175.10 174.48 2edy n THR 18 N 3.61 0.29 -2.67 5.04 5.66 -1.26 -4.76 114.28 120.19 2edy n THR 18 Ca -0.17 -0.30 -0.03 0.00 -3.05 0.00 0.00 64.05 60.49 2edy n THR 18 Cb 0.52 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.34 2edy n THR 18 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2edy n GLY 19 N 1.33 -1.66 3.55 1.09 0.00 -1.26 -5.06 105.19 103.18 2edy n GLY 19 Ca 0.02 1.23 -0.29 0.00 0.00 0.00 0.00 46.02 46.98 2edy n GLY 19 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2edy s LEU 20 N 0.84 0.78 0.05 0.99 2.34 -1.26 -3.08 118.68 119.34 2edy s LEU 20 Ca 0.24 1.12 -0.08 0.00 0.06 0.00 0.00 54.13 55.47 2edy s LEU 20 Cb 0.13 -3.02 -0.00 0.00 -0.56 0.00 0.00 46.19 42.74 2edy s LEU 20 CO -0.10 -3.98 0.17 -0.89 -1.06 0.00 0.00 176.35 170.48 2edy s THR 21 N -2.73 0.12 0.27 5.48 2.01 0.59 -4.76 115.64 116.62 2edy s THR 21 Ca 0.68 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 2edy s THR 21 Cb -0.18 -0.99 0.28 0.00 0.01 0.00 0.00 72.50 71.61 2edy s THR 21 CO 0.60 -0.55 1.67 0.71 -0.69 0.00 0.00 174.62 176.35 2edy h THR 22 N 3.38 0.42 0.00 -0.82 1.35 -1.91 -3.16 112.91 112.16 2edy h THR 22 Ca -0.33 -0.09 -0.32 0.00 -0.55 0.00 0.00 66.41 65.13 2edy h THR 22 Cb 1.19 0.14 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 2edy h THR 22 CO 0.50 0.05 -2.17 -1.20 -0.25 0.00 0.00 175.52 172.45 2edy n SER 23 N -5.18 2.15 -4.99 5.36 7.64 -1.26 -1.86 113.62 115.48 2edy n SER 23 Ca 0.18 0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.87 2edy n SER 23 Cb 0.57 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 2edy n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2edy s THR 24 N -2.40 4.26 -0.14 0.44 -4.23 -1.19 -0.62 115.64 111.75 2edy s THR 24 Ca -0.28 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2edy s THR 24 Cb 0.08 -3.48 0.07 0.00 1.34 0.00 0.00 72.50 70.51 2edy s THR 24 CO 0.44 -0.18 0.17 -0.89 -0.54 0.00 0.00 174.62 173.61 2edy s THR 25 N -2.14 -0.25 0.76 3.99 2.01 -1.06 0.22 115.64 119.17 2edy s THR 25 Ca 0.43 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.41 2edy s THR 25 Cb -0.09 -0.48 0.05 0.00 0.01 0.00 0.00 72.50 71.98 2edy s THR 25 CO 0.31 -0.06 1.08 -1.61 -0.69 0.00 0.00 174.62 173.65 2edy s GLU 26 N 2.27 2.41 0.07 4.92 2.02 -1.18 0.66 118.70 129.89 2edy s GLU 26 Ca 0.04 0.80 -0.05 0.00 0.02 0.00 0.00 54.97 55.78 2edy s GLU 26 Cb -0.14 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 2edy s GLU 26 CO -0.09 -1.43 0.10 -0.51 0.02 0.00 0.00 175.26 173.35 2edy s LEU 27 N -5.70 1.87 -0.30 1.80 1.43 0.31 -4.13 118.68 113.96 2edy s LEU 27 Ca 0.60 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 2edy s LEU 27 Cb -0.14 0.67 0.19 0.00 0.03 0.00 0.00 46.19 46.93 2edy s LEU 27 CO 0.55 -0.68 0.76 0.00 0.23 0.00 0.00 176.35 177.21 2edy s ALA 28 N -3.89 -2.69 0.38 4.21 0.00 0.02 -3.60 121.76 116.19 2edy s ALA 28 Ca 0.06 1.68 0.04 0.00 0.00 0.00 0.00 51.96 53.75 2edy s ALA 28 Cb 0.06 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2edy s ALA 28 CO -0.10 -1.39 0.13 1.67 0.00 0.00 0.00 175.76 176.07 2edy s TRP 29 N 2.89 1.77 0.30 0.00 -2.14 -0.79 -3.11 118.94 117.86 2edy s TRP 29 Ca 0.13 -1.29 0.10 0.00 2.66 0.00 0.00 56.10 57.71 2edy s TRP 29 Cb -0.13 -1.10 -0.06 0.00 -3.10 0.00 0.00 33.47 29.08 2edy s TRP 29 CO -0.18 -0.33 -0.14 -0.51 -2.66 0.00 0.00 176.95 173.13 2edy s ASP 30 N -3.55 3.47 0.73 -2.66 1.01 0.87 -4.70 116.67 111.85 2edy s ASP 30 Ca 0.27 -1.11 -0.12 0.00 0.71 0.00 0.00 52.55 52.30 2edy s ASP 30 Cb 0.03 -0.29 0.03 0.00 1.01 0.00 0.00 42.92 43.71 2edy s ASP 30 CO 0.16 -0.11 1.10 -2.16 0.21 0.00 0.00 175.17 174.37 2edy s PRO 31 N -3.58 2.47 0.03 8.23 0.04 -1.26 -2.71 135.00 138.22 2edy s PRO 31 Ca 0.30 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2edy s PRO 31 Cb -0.01 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2edy s PRO 31 CO 0.15 -1.49 1.43 -1.25 0.04 0.00 0.00 177.00 175.88 2edy s PRO 32 N -4.57 4.28 0.16 0.56 0.04 -1.26 -4.38 135.00 129.83 2edy s PRO 32 Ca 0.64 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 63.37 2edy s PRO 32 Cb -0.19 -3.52 -0.16 0.00 0.04 0.00 0.00 34.50 30.67 2edy s PRO 32 CO 0.50 -0.57 1.18 1.33 0.04 0.00 0.00 177.00 179.48 2edy n VAL 33 N 4.55 0.82 -0.03 -0.36 0.24 -1.26 -4.38 118.33 117.91 2edy n VAL 33 Ca 0.13 -0.21 0.20 0.00 -2.04 0.00 0.00 64.34 62.43 2edy n VAL 33 Cb 0.43 -0.84 0.41 0.00 -1.47 0.00 0.00 33.84 32.37 2edy n VAL 33 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 2edy h LEU 34 N 3.46 0.00 -0.07 1.34 -0.00 -1.92 0.82 115.31 118.94 2edy h LEU 34 Ca -0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.40 2edy h LEU 34 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2edy h LEU 34 CO 0.71 0.00 -0.15 0.00 -0.00 0.00 0.00 178.44 179.00 2edy h ALA 35 N 0.59 0.11 0.23 0.17 0.00 -2.01 -3.37 119.26 114.98 2edy h ALA 35 Ca 0.32 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2edy h ALA 35 Cb 2.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.13 2edy h ALA 35 CO -0.00 0.01 -0.11 0.93 0.00 0.00 0.00 179.25 180.08 2edy h GLU 36 N -0.27 -0.30 -6.27 0.00 5.08 0.32 -3.46 114.58 109.67 2edy h GLU 36 Ca 0.00 0.02 -0.48 0.00 -1.00 0.00 0.00 59.36 57.90 2edy h GLU 36 Cb 0.74 0.07 0.25 0.00 0.50 0.00 0.00 28.75 30.31 2edy h GLU 36 CO 0.03 -0.20 -2.03 2.89 -1.00 0.00 0.00 179.01 178.70 2edy n ARG 37 N -4.08 -0.59 -0.04 2.33 -4.01 -0.71 -4.22 116.66 105.35 2edy n ARG 37 Ca -0.04 -0.17 -0.08 0.00 -1.04 0.00 0.00 57.85 56.52 2edy n ARG 37 Cb 0.12 -1.28 -0.03 0.00 -3.04 0.00 0.00 32.46 28.24 2edy n ARG 37 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2edy n ASN 38 N 1.48 1.08 0.00 2.89 3.02 -1.26 -4.88 115.26 117.60 2edy n ASN 38 Ca -0.01 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2edy n ASN 38 Cb 0.69 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 2edy n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2edy n GLY 39 N 2.45 1.60 3.38 7.41 0.00 -1.26 -5.12 105.19 113.64 2edy n GLY 39 Ca -0.15 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2edy n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2edy s ARG 40 N 1.87 1.40 -0.14 1.61 0.52 -1.26 -5.09 118.95 117.85 2edy s ARG 40 Ca 0.00 -1.53 -0.06 0.00 -0.52 0.00 0.00 55.73 53.63 2edy s ARG 40 Cb 0.00 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 2edy s ARG 40 CO 0.00 0.29 0.05 0.42 0.02 0.00 0.00 175.30 176.08 2edy s ILE 41 N -2.22 4.74 -0.16 1.52 -1.09 -1.26 -4.45 121.20 118.28 2edy s ILE 41 Ca 0.20 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.58 2edy s ILE 41 Cb -0.05 -3.09 -0.11 0.00 -1.58 0.00 0.00 42.46 37.63 2edy s ILE 41 CO 0.09 0.53 -0.13 2.30 -1.23 0.00 0.00 174.94 176.50 2edy n ILE 42 N 2.89 0.94 -3.84 2.92 -5.35 -0.59 -5.03 119.36 111.29 2edy n ILE 42 Ca -0.18 -0.37 -0.05 0.00 -0.27 0.00 0.00 62.75 61.87 2edy n ILE 42 Cb 0.53 -1.05 0.02 0.00 -1.74 0.00 0.00 39.64 37.40 2edy n ILE 42 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2edy s SER 43 N -5.51 -0.01 0.26 7.28 0.01 -1.25 -4.79 113.70 109.68 2edy s SER 43 Ca -0.21 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.22 2edy s SER 43 Cb 0.06 0.65 -0.05 0.00 0.21 0.00 0.00 66.02 66.88 2edy s SER 43 CO 0.39 -1.28 0.11 -0.31 0.41 0.00 0.00 173.24 172.56 2edy s TYR 44 N -2.34 1.52 -0.23 2.43 1.51 -1.16 -0.51 117.35 118.56 2edy s TYR 44 Ca 0.18 -1.23 -0.02 0.00 -1.01 0.00 0.00 57.07 55.00 2edy s TYR 44 Cb -0.04 -0.87 0.07 0.00 -0.11 0.00 0.00 41.96 41.02 2edy s TYR 44 CO 0.08 -0.39 0.04 0.99 -1.11 0.00 0.00 175.55 175.16 2edy s THR 45 N -3.76 0.71 -0.68 -0.71 2.01 -0.91 -3.30 115.64 109.00 2edy s THR 45 Ca 0.38 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 61.27 2edy s THR 45 Cb 0.07 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.36 2edy s THR 45 CO 0.14 -0.34 1.07 -0.69 -0.69 0.00 0.00 174.62 174.11 2edy s VAL 46 N 1.75 4.13 -0.37 3.82 1.01 -0.20 -3.23 120.40 127.32 2edy s VAL 46 Ca 0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 2edy s VAL 46 Cb -0.17 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.46 2edy s VAL 46 CO -0.13 -1.57 0.58 -0.69 0.00 0.00 0.00 175.10 173.29 2edy s VAL 47 N 4.60 4.94 -0.03 2.92 1.01 -0.81 -0.11 120.40 132.93 2edy s VAL 47 Ca 0.27 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.71 2edy s VAL 47 Cb -0.14 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2edy s VAL 47 CO 0.12 -0.32 -0.22 0.72 0.00 0.00 0.00 175.10 175.40 2edy s PHE 48 N 2.58 2.46 -0.09 5.22 -0.71 0.13 -0.40 117.98 127.17 2edy s PHE 48 Ca 0.22 -0.37 -0.22 0.00 -1.04 0.00 0.00 56.93 55.52 2edy s PHE 48 Cb -0.15 -1.55 0.05 0.00 -1.21 0.00 0.00 43.02 40.16 2edy s PHE 48 CO 0.15 0.02 0.53 0.50 -1.34 0.00 0.00 175.22 175.08 2edy s ARG 49 N -0.62 0.80 -0.32 1.99 3.52 -0.09 -1.55 118.95 122.69 2edy s ARG 49 Ca 0.10 0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.71 2edy s ARG 49 Cb -0.10 0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.67 2edy s ARG 49 CO -0.00 -0.20 1.16 -0.51 -0.81 0.00 0.00 175.30 174.94 2edy s ASP 50 N -0.72 6.83 0.00 -2.12 1.11 -1.25 0.12 116.67 120.64 2edy s ASP 50 Ca -0.08 1.09 0.07 0.00 0.18 0.00 0.00 52.55 53.81 2edy s ASP 50 Cb -0.03 -2.54 0.36 0.00 1.07 0.00 0.00 42.92 41.78 2edy s ASP 50 CO 0.05 -0.97 1.06 2.30 1.18 0.00 0.00 175.17 178.80 2edy n ILE 51 N 6.02 0.81 0.79 0.77 -5.35 -1.21 -0.75 119.36 120.44 2edy n ILE 51 Ca 0.13 0.20 0.08 0.00 -0.27 0.00 0.00 62.75 62.89 2edy n ILE 51 Cb 0.47 -1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 37.22 2edy n ILE 51 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2edy n ASN 52 N -1.26 1.11 -3.77 7.28 3.02 -1.26 -5.01 115.26 115.37 2edy n ASN 52 Ca 0.03 -1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 53.31 2edy n ASN 52 Cb 0.05 0.82 -0.08 0.00 -0.61 0.00 0.00 39.78 39.96 2edy n ASN 52 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2edy s SER 53 N -2.39 2.11 -0.42 6.41 0.01 0.07 -5.06 113.70 114.44 2edy s SER 53 Ca 0.09 -1.70 0.05 0.00 1.31 0.00 0.00 55.95 55.70 2edy s SER 53 Cb 0.13 0.52 0.52 0.00 0.21 0.00 0.00 66.02 67.40 2edy s SER 53 CO 0.60 -0.99 1.65 0.00 0.41 0.00 0.00 173.24 174.92 2edy n GLN 54 N -0.74 2.44 -3.30 12.44 10.64 -1.26 -4.60 117.38 133.00 2edy n GLN 54 Ca 0.01 -3.36 -0.46 0.00 -1.83 0.00 0.00 57.00 51.36 2edy n GLN 54 Cb 0.64 -2.09 -0.04 0.00 -0.86 0.00 0.00 30.24 27.89 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2edy s GLN 55 N -3.47 3.23 0.04 2.61 2.00 -1.26 -5.05 119.66 117.76 2edy s GLN 55 Ca 0.53 -1.97 -0.22 0.00 -2.00 0.00 0.00 55.36 51.71 2edy s GLN 55 Cb 0.45 -4.36 -0.06 0.00 0.80 0.00 0.00 33.01 29.84 2edy s GLN 55 CO 0.02 -1.33 0.65 -2.00 -0.50 0.00 0.00 175.29 172.13 2edy s GLU 56 N 1.14 4.36 0.14 1.67 2.12 -1.26 -3.76 118.70 123.11 2edy s GLU 56 Ca 0.09 0.85 -0.13 0.00 0.36 0.00 0.00 54.97 56.15 2edy s GLU 56 Cb -0.22 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.86 2edy s GLU 56 CO -0.01 0.42 0.34 -0.51 -0.54 0.00 0.00 175.26 174.95 2edy s LEU 57 N -0.41 0.73 0.21 2.70 1.43 -0.60 -5.02 118.68 117.73 2edy s LEU 57 Ca 0.33 -0.59 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 2edy s LEU 57 Cb -0.19 1.53 0.05 0.00 0.03 0.00 0.00 46.19 47.60 2edy s LEU 57 CO 0.20 -0.88 0.65 0.00 0.23 0.00 0.00 176.35 176.55 2edy s GLN 58 N -3.88 1.51 0.24 1.70 -2.07 -1.26 0.19 119.66 116.09 2edy s GLN 58 Ca 0.09 -0.71 0.01 0.00 -1.82 0.00 0.00 55.36 52.93 2edy s GLN 58 Cb 0.02 0.60 -0.04 0.00 -1.09 0.00 0.00 33.01 32.50 2edy s GLN 58 CO -0.06 -0.68 0.13 -0.80 -1.32 0.00 0.00 175.29 172.56 2edy s ASN 59 N -2.83 0.78 -0.02 12.60 0.02 0.85 -4.94 114.94 121.40 2edy s ASN 59 Ca 0.06 -1.43 0.02 0.00 -1.02 0.00 0.00 52.86 50.49 2edy s ASN 59 Cb -0.03 0.31 0.00 0.00 0.02 0.00 0.00 41.25 41.56 2edy s ASN 59 CO -0.04 -0.82 -0.07 -0.63 0.02 0.00 0.00 177.10 175.57 2edy s ILE 60 N -3.91 0.59 -0.19 0.60 1.01 -1.26 -1.04 121.20 117.01 2edy s ILE 60 Ca 0.38 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 2edy s ILE 60 Cb 0.07 -0.54 0.05 0.00 0.01 0.00 0.00 42.46 42.05 2edy s ILE 60 CO 0.14 0.19 0.49 0.28 0.00 0.00 0.00 174.94 176.05 2edy s THR 61 N 0.23 -0.00 -0.97 2.92 -1.32 -1.21 -5.02 115.64 110.27 2edy s THR 61 Ca -0.03 0.01 0.20 0.00 -1.21 0.00 0.00 61.69 60.66 2edy s THR 61 Cb -0.07 -0.69 0.17 0.00 -1.51 0.00 0.00 72.50 70.39 2edy s THR 61 CO 0.00 0.00 1.64 0.35 -2.21 0.00 0.00 174.62 174.40 2edy n THR 62 N 3.00 0.66 -3.30 5.08 -2.24 -1.26 -2.98 114.28 113.24 2edy n THR 62 Ca -0.15 0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2edy n THR 62 Cb 0.57 -0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 67.95 2edy n THR 62 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2edy s ASP 63 N -3.10 6.18 -0.03 3.42 1.11 -1.26 -4.82 116.67 118.17 2edy s ASP 63 Ca 0.09 0.39 0.02 0.00 0.18 0.00 0.00 52.55 53.23 2edy s ASP 63 Cb 0.13 -1.89 0.11 0.00 1.07 0.00 0.00 42.92 42.33 2edy s ASP 63 CO 0.37 -0.39 0.70 0.35 1.18 0.00 0.00 175.17 177.38 2edy n THR 64 N -1.84 0.34 -4.10 -1.27 -2.24 -1.26 -4.76 114.28 99.14 2edy n THR 64 Ca -0.03 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2edy n THR 64 Cb 0.57 -0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 2edy n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edy s ARG 65 N -1.29 1.01 0.05 -0.78 1.04 -1.26 -1.88 118.95 115.84 2edy s ARG 65 Ca 0.07 -1.38 -0.27 0.00 -1.04 0.00 0.00 55.73 53.11 2edy s ARG 65 Cb 0.05 0.28 0.09 0.00 -2.04 0.00 0.00 34.95 33.34 2edy s ARG 65 CO 0.02 -0.31 0.83 0.12 -0.04 0.00 0.00 175.30 175.91 2edy s PHE 66 N -4.03 -0.37 -0.18 5.89 5.36 -1.24 -4.89 117.98 118.51 2edy s PHE 66 Ca 0.23 0.21 -0.03 0.00 -0.96 0.00 0.00 56.93 56.38 2edy s PHE 66 Cb 0.06 0.55 0.06 0.00 -0.34 0.00 0.00 43.02 43.35 2edy s PHE 66 CO 0.02 -0.64 0.03 0.99 -1.46 0.00 0.00 175.22 174.16 2edy s THR 67 N -3.28 0.54 1.19 0.12 2.01 -1.26 0.12 115.64 115.07 2edy s THR 67 Ca 0.05 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 2edy s THR 67 Cb -0.01 -1.00 0.28 0.00 0.01 0.00 0.00 72.50 71.78 2edy s THR 67 CO -0.09 -0.16 1.03 -0.76 -0.69 0.00 0.00 174.62 173.96 2edy s LEU 68 N 1.86 0.54 0.23 4.42 2.01 0.21 -4.78 118.68 123.16 2edy s LEU 68 Ca -0.00 1.13 -0.22 0.00 0.01 0.00 0.00 54.13 55.05 2edy s LEU 68 Cb -0.17 -2.96 0.04 0.00 0.01 0.00 0.00 46.19 43.11 2edy s LEU 68 CO -0.08 -4.21 0.72 0.42 1.01 0.00 0.00 176.35 174.21 2edy s THR 69 N -2.64 0.00 -1.44 5.49 -4.23 -1.26 -2.56 115.64 109.00 2edy s THR 69 Ca 0.68 -0.68 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2edy s THR 69 Cb -0.19 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 71.94 2edy s THR 69 CO 0.60 0.00 0.25 0.61 -0.54 0.00 0.00 174.62 175.54 2edy n GLY 70 N -0.43 -0.36 3.95 3.99 0.00 -1.24 -4.92 105.19 106.18 2edy n GLY 70 Ca -0.08 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 2edy n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edy s LEU 71 N -5.46 3.83 -0.06 0.99 1.43 0.21 -5.06 118.68 114.56 2edy s LEU 71 Ca 0.12 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 2edy s LEU 71 Cb -0.05 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 2edy s LEU 71 CO 0.15 -0.44 0.28 -0.75 0.23 0.00 0.00 176.35 175.82 2edy s LYS 72 N -4.13 3.70 0.36 1.70 2.20 -1.26 -4.29 119.74 118.02 2edy s LYS 72 Ca 0.45 0.14 -0.27 0.00 -0.36 0.00 0.00 55.97 55.93 2edy s LYS 72 Cb -0.08 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 32.93 2edy s LYS 72 CO 0.30 0.72 1.21 -1.25 -0.36 0.00 0.00 175.35 175.97 2edy s PRO 73 N -1.01 4.23 -1.13 4.03 0.04 -0.78 -3.55 135.00 136.84 2edy s PRO 73 Ca 0.19 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 63.18 2edy s PRO 73 Cb -0.14 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2edy s PRO 73 CO 0.09 -0.20 0.96 -3.47 0.04 0.00 0.00 177.00 174.41 2edy n ASP 74 N 0.48 -3.09 -3.71 6.66 2.03 -1.07 -4.87 116.55 112.98 2edy n ASP 74 Ca 0.02 -0.55 -0.14 0.00 0.52 0.00 0.00 54.79 54.64 2edy n ASP 74 Cb 0.45 -4.70 -0.14 0.00 -0.72 0.00 0.00 41.12 36.00 2edy n ASP 74 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2edy s THR 75 N -3.32 -0.15 0.20 5.18 2.01 -1.23 -4.97 115.64 113.36 2edy s THR 75 Ca 0.14 0.23 -0.32 0.00 0.31 0.00 0.00 61.69 62.06 2edy s THR 75 Cb -0.06 -0.32 -0.11 0.00 0.01 0.00 0.00 72.50 72.02 2edy s THR 75 CO 0.67 0.09 1.63 -0.89 -0.69 0.00 0.00 174.62 175.43 2edy s THR 76 N 1.65 2.30 -0.27 -0.82 2.01 -1.26 -2.91 115.64 116.34 2edy s THR 76 Ca -0.05 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2edy s THR 76 Cb -0.11 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.33 2edy s THR 76 CO -0.07 0.02 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.56 2edy s TYR 77 N 0.99 2.60 -0.65 4.92 2.02 -1.20 -3.32 117.35 122.71 2edy s TYR 77 Ca 0.71 -2.04 -0.26 0.00 -0.37 0.00 0.00 57.07 55.11 2edy s TYR 77 Cb -0.47 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.15 2edy s TYR 77 CO 0.34 -0.83 2.05 0.34 -1.57 0.00 0.00 175.55 175.87 2edy s ASP 78 N 1.32 4.94 -0.12 2.29 -1.08 0.33 -1.64 116.67 122.70 2edy s ASP 78 Ca 0.00 0.32 -0.02 0.00 -0.52 0.00 0.00 52.55 52.33 2edy s ASP 78 Cb -0.19 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.72 2edy s ASP 78 CO -0.10 -2.68 -0.05 -0.63 0.52 0.00 0.00 175.17 172.23 2edy s ILE 79 N 10.45 3.81 0.31 4.11 1.01 -1.26 -0.91 121.20 138.73 2edy s ILE 79 Ca 0.77 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.06 2edy s ILE 79 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2edy s ILE 79 CO 0.17 0.54 0.18 2.29 0.00 0.00 0.00 174.94 178.13 2edy n LYS 80 N 2.95 0.48 -3.76 2.79 2.85 0.47 -1.11 118.16 122.82 2edy n LYS 80 Ca -0.18 -2.88 -0.10 0.00 -1.05 0.00 0.00 58.31 54.11 2edy n LYS 80 Cb 0.53 1.97 -0.06 0.00 -0.65 0.00 0.00 35.03 36.82 2edy n LYS 80 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2edy s VAL 81 N -3.01 0.09 -0.25 0.58 0.11 -1.26 -1.91 120.40 114.75 2edy s VAL 81 Ca 0.26 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 58.24 2edy s VAL 81 Cb 0.01 -1.35 0.07 0.00 -1.53 0.00 0.00 36.38 33.58 2edy s VAL 81 CO 0.18 -0.42 0.61 0.00 -3.33 0.00 0.00 175.10 172.15 2edy s ARG 82 N -3.85 0.64 0.54 1.54 1.70 -1.20 0.42 118.95 118.74 2edy s ARG 82 Ca 0.06 1.07 -0.18 0.00 -0.47 0.00 0.00 55.73 56.22 2edy s ARG 82 Cb 0.03 0.13 -0.06 0.00 -0.57 0.00 0.00 34.95 34.48 2edy s ARG 82 CO -0.09 -0.14 1.05 0.00 -1.08 0.00 0.00 175.30 175.03 2edy s ALA 83 N 1.41 2.81 0.07 7.88 0.00 -1.26 -2.14 121.76 130.52 2edy s ALA 83 Ca -0.09 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2edy s ALA 83 Cb -0.06 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2edy s ALA 83 CO -0.15 -0.56 -0.19 -1.58 0.00 0.00 0.00 175.76 173.27 2edy s TRP 84 N -2.21 1.64 0.27 0.00 0.52 0.33 -3.54 118.94 115.94 2edy s TRP 84 Ca 0.66 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 56.44 2edy s TRP 84 Cb -0.16 -0.93 -0.06 0.00 -1.15 0.00 0.00 33.47 31.17 2edy s TRP 84 CO 0.28 0.13 -0.08 0.95 0.02 0.00 0.00 176.95 178.25 2edy s THR 85 N -1.04 1.72 0.59 2.01 -4.23 -0.38 -1.54 115.64 112.78 2edy s THR 85 Ca 0.05 -2.16 0.29 0.00 -1.18 0.00 0.00 61.69 58.69 2edy s THR 85 Cb -0.09 -2.36 0.39 0.00 1.34 0.00 0.00 72.50 71.78 2edy s THR 85 CO 0.03 -0.36 1.77 -1.28 -0.54 0.00 0.00 174.62 174.23 2edy h SER 86 N 2.33 0.00 0.21 3.99 0.87 -1.94 -1.60 113.55 117.41 2edy h SER 86 Ca -0.40 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 2edy h SER 86 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2edy h SER 86 CO 0.66 0.00 -0.10 0.11 -0.53 0.00 0.00 176.83 176.97 2edy h LYS 87 N 0.00 -0.27 0.00 2.24 1.79 -1.95 -3.51 116.57 114.87 2edy h LYS 87 Ca 0.29 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2edy h LYS 87 Cb 1.60 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 2edy h LYS 87 CO -0.00 -0.18 0.00 0.41 -1.08 0.00 0.00 179.45 178.60 2edy n GLY 88 N 1.06 1.51 3.60 3.86 0.00 0.64 -4.85 105.19 111.02 2edy n GLY 88 Ca -0.03 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2edy n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edy s SER 89 N 2.00 3.76 0.00 1.61 0.15 -1.23 -1.25 113.70 118.74 2edy s SER 89 Ca 0.00 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.30 2edy s SER 89 Cb 0.00 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2edy s SER 89 CO 0.00 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2edy n GLY 90 N -0.93 5.27 3.61 9.45 0.00 -1.23 -3.35 105.19 118.01 2edy n GLY 90 Ca -0.05 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 2edy n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 91 N 3.36 -1.00 -0.19 1.61 0.04 -1.26 -4.99 135.00 132.58 2edy s PRO 91 Ca 0.00 0.01 0.01 0.00 0.04 0.00 0.00 61.00 61.06 2edy s PRO 91 Cb 0.00 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.95 2edy s PRO 91 CO 0.00 -3.58 -0.19 -0.51 0.04 0.00 0.00 177.00 172.76 2edy s LEU 92 N -6.87 2.22 0.77 -3.56 1.43 -1.26 -4.56 118.68 106.85 2edy s LEU 92 Ca 0.70 -0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 2edy s LEU 92 Cb -0.11 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2edy s LEU 92 CO 0.56 -0.01 0.72 -1.54 0.23 0.00 0.00 176.35 176.31 2edy n SER 93 N 4.61 -0.57 -4.64 2.29 3.41 0.17 -4.87 113.62 114.02 2edy n SER 93 Ca -0.20 0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 2edy n SER 93 Cb 0.49 -1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.11 2edy n SER 93 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2edy s PRO 94 N -3.24 3.91 0.56 4.33 0.04 -1.26 -4.35 135.00 134.99 2edy s PRO 94 Ca 0.67 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 63.29 2edy s PRO 94 Cb -0.32 -4.00 -0.11 0.00 0.04 0.00 0.00 34.50 30.12 2edy s PRO 94 CO 0.56 -1.15 0.31 -1.13 0.04 0.00 0.00 177.00 175.63 2edy n SER 95 N 8.00 -1.93 -0.05 6.66 3.41 -1.26 -4.86 113.62 123.60 2edy n SER 95 Ca 0.18 0.70 -0.01 0.00 -0.26 0.00 0.00 58.87 59.48 2edy n SER 95 Cb 0.45 -1.07 -0.13 0.00 -0.26 0.00 0.00 64.21 63.20 2edy n SER 95 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2edy n ILE 96 N -1.67 0.64 -3.19 -1.33 -5.35 -0.27 -4.90 119.36 103.29 2edy n ILE 96 Ca 0.10 -0.55 -0.14 0.00 -0.27 0.00 0.00 62.75 61.89 2edy n ILE 96 Cb 0.47 -0.31 0.07 0.00 -1.74 0.00 0.00 39.64 38.14 2edy n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2edy n GLN 97 N -2.38 -5.50 -1.97 6.28 6.02 -1.21 -4.88 117.38 113.75 2edy n GLN 97 Ca -0.16 0.70 -0.39 0.00 -0.01 0.00 0.00 57.00 57.14 2edy n GLN 97 Cb 0.78 -5.28 -0.03 0.00 1.02 0.00 0.00 30.24 26.73 2edy n GLN 97 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2edy s SER 98 N -4.10 5.28 -0.34 1.08 0.15 -0.65 -4.16 113.70 110.95 2edy s SER 98 Ca 0.01 0.63 -0.29 0.00 0.70 0.00 0.00 55.95 57.00 2edy s SER 98 Cb -0.01 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2edy s SER 98 CO 0.60 -2.31 1.31 -0.60 1.20 0.00 0.00 173.24 173.44 2edy s ARG 99 N 6.93 3.82 0.50 5.44 3.52 -1.26 -3.28 118.95 134.62 2edy s ARG 99 Ca 0.74 1.11 -0.19 0.00 -0.13 0.00 0.00 55.73 57.25 2edy s ARG 99 Cb -0.15 -3.91 -0.12 0.00 -1.56 0.00 0.00 34.95 29.21 2edy s ARG 99 CO 0.24 -1.24 0.35 0.25 -0.81 0.00 0.00 175.30 174.09 2edy n THR 100 N 6.46 1.49 -1.90 4.11 -2.24 -1.15 -4.80 114.28 116.25 2edy n THR 100 Ca 0.15 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 2edy n THR 100 Cb 0.47 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 2edy n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edy s MET 101 N -1.62 4.19 -0.65 -0.78 0.00 -1.25 -2.60 119.30 116.60 2edy s MET 101 Ca 0.64 2.46 -0.26 0.00 0.00 0.00 0.00 55.69 58.52 2edy s MET 101 Cb -0.51 -3.01 -0.02 0.00 0.00 0.00 0.00 34.83 31.28 2edy s MET 101 CO 0.59 -0.45 1.88 -1.25 0.00 0.00 0.00 175.02 175.78 2edy s PRO 102 N -1.65 2.61 0.00 3.16 0.04 -1.26 -3.57 135.00 134.33 2edy s PRO 102 Ca 0.54 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2edy s PRO 102 Cb -0.45 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.62 2edy s PRO 102 CO 0.57 -2.82 0.04 1.55 0.04 0.00 0.00 177.00 176.38